CID 12702855

N-(2,2,2-trifluoroethyl)pyridin-4-amine

Structural Information

Molecular Formula
C7H7F3N2
SMILES
C1=CN=CC=C1NCC(F)(F)F
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)5-12-6-1-3-11-4-2-6/h1-4H,5H2,(H,11,12)
InChIKey
TUKVLFRRTNWHOJ-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.05614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06342 131.4
[M+Na]+ 199.04536 139.5
[M-H]- 175.04886 129.8
[M+NH4]+ 194.08996 149.9
[M+K]+ 215.01930 136.9
[M+H-H2O]+ 159.05340 122.5
[M+HCOO]- 221.05434 151.6
[M+CH3COO]- 235.06999 180.7
[M+Na-2H]- 197.03081 139.9
[M]+ 176.05559 126.2
[M]- 176.05669 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe